CID 2807197

Maybridge4_001045

Structural Information

Molecular Formula
C19H21N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N(CCC#N)CC2=CC=NC=C2
InChI
InChI=1S/C19H21N3O4/c1-24-16-11-15(12-17(25-2)18(16)26-3)19(23)22(10-4-7-20)13-14-5-8-21-9-6-14/h5-6,8-9,11-12H,4,10,13H2,1-3H3
InChIKey
HUCNZSPAWVKACH-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-3,4,5-trimethoxy-N-(pyridin-4-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

355.1532 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 183.0
[M+Na]+ 378.14242 190.8
[M-H]- 354.14592 187.6
[M+NH4]+ 373.18702 193.0
[M+K]+ 394.11636 188.0
[M+H-H2O]+ 338.15046 166.5
[M+HCOO]- 400.15140 201.8
[M+CH3COO]- 414.16705 228.3
[M+Na-2H]- 376.12787 184.4
[M]+ 355.15265 183.8
[M]- 355.15375 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.